SEQ2FUN

BioLiP

PDB CCD ID: E0H
Number of entries in BioLiP: 2
Chemical formula: C11 H6 Cl2 O3
InChI: InChI=1S/C11H6Cl2O3/c12-7-2-1-6(5-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKey: GNXLBNMHCYYSPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1oc(cc1)c2ccc(Cl)c(Cl)c2
OpenEye OEToolkits 2.0.6c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)Cl
Name:5-(3,4-dichlorophenyl)furan-2-carboxylic acid
ChEMBL: CHEMBL4125811
ZINC: ZINC000000156744
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).